Encoding Molecular Motions in Voxel Maps
Résumé
This paper builds on the combination of robotic path planning algorithms and molecular modeling methods for computing large-amplitude molecular motions, and introduces voxel maps as a computational tool to encode and to represent such motions. We investigate several applications and show results that illustrate the interest of such representation.
Origine | Fichiers produits par l'(les) auteur(s) |
---|
Loading...